1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol

C16H21Cl2NO2 — CID 60713244

IUPAC1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
SMILESOC(CNC(C1CC1)C1CC1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO2/c17-12-5-6-15(14(18)7-12)21-9-13(20)8-19-16(10-1-2-10)11-3-4-11/h5-7,10-11,13,16,19-20H,1-4,8-9H2
InChIKeyKVLSITRVYZKTAV-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.51
Rot. Bonds8

About 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol (PubChem CID 60713244) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
PubChem CID60713244
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.25 g/mol
Exact Mass329.09
IUPAC Name1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
SMILESOC(CNC(C1CC1)C1CC1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2NO2/c17-12-5-6-15(14(18)7-12)21-9-13(20)8-19-16(10-1-2-10)11-3-4-11/h5-7,10-11,13,16,19-20H,1-4,8-9H2
InChIKeyKVLSITRVYZKTAV-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(3,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713365
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2-bromo-4-methylphenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713214
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
3-[[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005905
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol (CID 60713244) is 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol is OC(CNC(C1CC1)C1CC1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
The InChIKey is KVLSITRVYZKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c17-12-5-6-15(14(18)7-12)21-9-13(20)8-19-16(10-1-2-10)11-3-4-11/h5-7,10-11,13,16,19-20H,1-4,8-9H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol has a molecular weight of 330.25 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol is sourced from PubChem (CID 60713244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).